Information card for entry 7100731

Structure parameters

• Formula: C54 H59 N3 O10
• Calculated formula: C54 H59 N3 O10
• SMILES: C1(=O)C2=CC(=O)C=C1Cc1c3c(cc(c1)C(C)(C)C)CC1=CC(=O)C=C(C1=O)Cc1c(c(cc(c1)C(C)(C)C)C2)OCCOCCNC(=O)c1cc(C(=O)NCCOCCO3)ccc1.N#CC
• Title of publication: Cooperative AND receptors for ion-pairs
• Authors of publication: P. D. Beer; Andrew R. Cowley; Michael Lankshear
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 10.0261 ± 0.0003 Å
• b: 12.5372 ± 0.0004 Å
• c: 20.4416 ± 0.0006 Å
• α: 102.137 ± 0.003°
• β: 94.601 ± 0.003°
• γ: 101.43 ± 0.003°
• Cell volume: 2442.24 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No